Self Gibbs energy

It is understood that the (local) Gibbs energy depends on the local stress, and thus aH(NH) and (A/h) reflect the self- and coherency stresses in the Me-H system. In addition, if coherency is lost due to plastic deformation or cracking, the Me atoms in the deformation zone may well become mobile and Me then is well defined near the interface. This could explain the fact that aK(N (P)) (= aH(Ajj(a))) corresponds, in essence, to the value of the a/p equilibrium calculated using independent thermodynamic data. 

The enthalpy of formation and Gibbs energy of formation are related to each other through the entropy of formation of the substance. Self-consistency can be assured by use of this constraint to derive any one property from selected... 

For each self-exchange reaction, AG° = 0. The Gibbs energy of activation, AG, for a self-exchange reaction can be... 

Because Gibbs energy as a function of T and P is a fundamental equation ( 4.12.1), excess Gibbs energies can be used to calculate not only activity coefficients but all other deviations from ideal behavior, such as osmotic coefficients, excess enthalpies, excess heat capacities, excess volumes, and so on ( 10.4), so it is potentially quite informative. Also, properties calculated from in this way will be entirely self-consistent, which might not be the case if each property was determined separately. 

Jinnouchi, R. and A.B. Anderson, Aqueous and surface redox potentials from self-consistently determined Gibbs energies. Journal of Physical Chemistry C, 2008. 112(24) p. 8747-8750. 

The files can be saved in a user-defined directory. The default names are LBnnnn S.XML for the SELF display of the primary data, LBnnnn E.XML for the ELDATA display of the primary data, LBnnnnVLC.XML, for the calculated vapor-liquid equilibrium data, and LBnnnnGEC.XML for the calculated excess Gibbs energy data. The XML files can be viewed by means of Microsoft Office Excel 2002 or later. An example is shown in Fig. 3.22. 

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